Gleditsioside G
HIT212523558
sdf文件结构编辑类似物检索
HIT ID: HIT212523558
Cas No: 225529-55-5
分子式: C94H148O42
分子量: 1950.176
常用名: Gleditsioside G
氢键受体数 (HBA): 39
氢键供体数 (HBD): 21
LogP: 0.789
IUPAC: 6-{[(4,5-dihydroxy-3-{[(2E)-6-hydroxy-2,6-dimethylocta-2,7-dienoyl]oxy}-6-methyloxan-2-yl)oxy]methyl}-3-{[5-({3,5-dihydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-4-{[(2E)-6-hydroxy-2,6-dimethylocta-2,7-dienoyl]oxy}oxan-2-yl 10-({6-[({4,5-dihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate
IUPAC: 6-{[(4,5-dihydroxy-3-{[(2E)-6-hydroxy-2,6-dimethylocta-2,7-dienoyl]oxy}-6-methyloxan-2-yl)oxy]methyl}-3-{[5-({3,5-dihydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-4-{[(2E)-6-hydroxy-2,6-dimethylocta-2,7-dienoyl]oxy}oxan-2-yl 10-({6-[({4,5-dihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate
SMILES: CC1OC(OCC2OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(COC8OCC(O)C(O)C8OC8OCC(O)C(O)C8O)C(O)C(O)C7O)C(C)(C)C6CCC5(C)C3(C)CC4O)C(OC3OC(C)C(OC4OCC(O)C(OC5OCC(O)C(O)C5O)C4O)C(O)C3O)C(OC(=O)C(\C)=C\CCC(C)(O)C=C)C2O)C(OC(=O)C(\C)=C\CCC(C)(O)C=C)C(O)C1O |t:21|
SMILES: CC1OC(OCC2OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(COC8OCC(O)C(O)C8OC8OCC(O)C(O)C8O)C(O)C(O)C7O)C(C)(C)C6CCC5(C)C3(C)CC4O)C(OC3OC(C)C(OC4OCC(O)C(OC5OCC(O)C(O)C5O)C4O)C(O)C3O)C(OC(=O)C(\C)=C\CCC(C)(O)C=C)C2O)C(OC(=O)C(\C)=C\CCC(C)(O)C=C)C(O)C1O |t:21|
InChI key: PDMGGHDYKYLFRK-PKDVHWSPSA-N
共显示3个结果
供应商规格单价货期纯度操作
TargetMol
SC
待询点击询价
Analyticon
SC
32893-4周 购物车
Mcule
SC
50204-5周 购物车
TargetMol | Target Loading
正在加载 ~